Stability of carboxonium ions

Stephen R. Miller; Sergiy Krasutsky; Paul Kiprof

doi:10.1016/j.theochem.2003.12.044

Stability of carboxonium ions

Stephen R. Miller, Sergiy Krasutsky, Paul Kiprof

Chemistry & Biochemistry

Research output: Contribution to journal › Article › peer-review

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Abstract

Carboxonium ions were studied through analysis of the bonding situation in terms of natural bond order, natural resonance structure contributors and charges. The stabilizing effect of oxygen was also elucidated through hydride exchange reactions and study of the π interactions of the cationic carbon with oxygen substituents.

Original language	English (US)
Pages (from-to)	43-47
Number of pages	5
Journal	Journal of Molecular Structure: THEOCHEM
Volume	674
Issue number	1-3
DOIs	https://doi.org/10.1016/j.theochem.2003.12.044
State	Published - Apr 1 2004

Keywords

Ab initio
Carbocation
Carboxonium ions
Natural bond orbital
Resonance

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10.1016/j.theochem.2003.12.044

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title = "Stability of carboxonium ions",

abstract = "Carboxonium ions were studied through analysis of the bonding situation in terms of natural bond order, natural resonance structure contributors and charges. The stabilizing effect of oxygen was also elucidated through hydride exchange reactions and study of the π interactions of the cationic carbon with oxygen substituents.",

keywords = "Ab initio, Carbocation, Carboxonium ions, Natural bond orbital, Resonance",

author = "Miller, {Stephen R.} and Sergiy Krasutsky and Paul Kiprof",

year = "2004",

month = apr,

day = "1",

doi = "10.1016/j.theochem.2003.12.044",

language = "English (US)",

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T1 - Stability of carboxonium ions

AU - Miller, Stephen R.

AU - Krasutsky, Sergiy

AU - Kiprof, Paul

PY - 2004/4/1

Y1 - 2004/4/1

N2 - Carboxonium ions were studied through analysis of the bonding situation in terms of natural bond order, natural resonance structure contributors and charges. The stabilizing effect of oxygen was also elucidated through hydride exchange reactions and study of the π interactions of the cationic carbon with oxygen substituents.

AB - Carboxonium ions were studied through analysis of the bonding situation in terms of natural bond order, natural resonance structure contributors and charges. The stabilizing effect of oxygen was also elucidated through hydride exchange reactions and study of the π interactions of the cationic carbon with oxygen substituents.

KW - Ab initio

KW - Carbocation

KW - Carboxonium ions

KW - Natural bond orbital

KW - Resonance

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DO - 10.1016/j.theochem.2003.12.044

M3 - Article

AN - SCOPUS:1942532732

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EP - 47

JO - Journal of Molecular Structure: THEOCHEM

JF - Journal of Molecular Structure: THEOCHEM

IS - 1-3

ER -

Stability of carboxonium ions

Abstract

Keywords

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